@<TRIPOS>MOLECULE
BindingDB_14361
 41 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         1.0049    0.8915  -10.5144  C     
2    N         5.9112    1.8311   -7.7190  N     
3    C         5.4409    2.9370   -7.1989  C     
4    C         2.3260    1.5616   -8.5378  C     
5    C         2.2010    0.8646   -9.7633  C     
6    C         3.5850    1.5948   -7.7196  C     
7    O         0.9264    0.1748  -11.6841  O     
8    C         4.0153    3.0264   -7.2888  C     
9    C        -0.1406    1.5440  -10.0059  C     
10   C         4.9120    1.0145   -8.2946  C     
11   O         6.1466    3.8461   -6.7876  O     
12   C         1.1732    2.2185   -8.0462  C     
13   C        -0.0335    2.2165   -8.7647  C     
14   C         1.6281    0.7233  -12.8294  C     
15   O        -1.2915    1.4466  -10.7633  O     
16   C        -2.5518    1.9481  -10.2861  C     
17   C         1.8583   -0.4183  -13.8404  C     
18   C         0.7929    1.7691  -13.6134  C     
19   C         0.3221    1.0952  -14.9226  C     
20   C         0.6173   -0.4001  -14.7442  C     
21   H         6.8620    1.6570   -7.8222  H     
22   H         2.9743    0.3046  -10.1192  H     
23   H         3.3671    1.0273   -6.8043  H     
24   H         3.5841    3.2927   -6.3179  H     
25   H         3.7467    3.7856   -8.0321  H     
26   H         4.9964    1.1211   -9.3779  H     
27   H         5.0548   -0.0320   -8.0107  H     
28   H         1.2012    2.7097   -7.1485  H     
29   H        -0.8343    2.7048   -8.3628  H     
30   H         2.6030    1.1411  -12.5506  H     
31   H        -2.8257    1.4789   -9.3385  H     
32   H        -3.3217    1.7080  -11.0208  H     
33   H        -2.5158    3.0338  -10.1693  H     
34   H         2.7519   -0.2156  -14.4393  H     
35   H         1.9833   -1.3872  -13.3496  H     
36   H        -0.0680    2.0980  -13.0305  H     
37   H         1.4005    2.6499  -13.8424  H     
38   H        -0.7419    1.2624  -15.1096  H     
39   H         0.8919    1.4827  -15.7732  H     
40   H         0.8074   -0.8935  -15.7015  H     
41   H        -0.2241   -0.8913  -14.2442  H     
@<TRIPOS>BOND
     1    1    5 2
     2    1    7 1
     3    1    9 1
     4    2    3 1
     5    2   10 1
     6    3    8 1
     7    3   11 2
     8    4    5 1
     9    4    6 1
    10    4   12 2
    11    6    8 1
    12    6   10 1
    13    7   14 1
    14    9   13 2
    15    9   15 1
    16   12   13 1
    17   14   17 1
    18   14   18 1
    19   15   16 1
    20   17   20 1
    21   18   19 1
    22   19   20 1
    23    2   21 1
    24    5   22 1
    25    6   23 1
    26    8   24 1
    27    8   25 1
    28   10   26 1
    29   10   27 1
    30   12   28 1
    31   13   29 1
    32   14   30 1
    33   16   31 1
    34   16   32 1
    35   16   33 1
    36   17   34 1
    37   17   35 1
    38   18   36 1
    39   18   37 1
    40   19   38 1
    41   19   39 1
    42   20   40 1
    43   20   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.1358
  Crash		| -0.3510
  Polar		| 1.7292
  FragIndex	| 1
  FragRMSD	| 0.592